[gmx-users] System coordinates not getting freezed

sukriti002 sukriti002 at e.ntu.edu.sg
Mon Apr 21 07:39:41 CEST 2014


Hi everyone,

My system contains one copper ion and one water molecule with no solvent. I
considered complete system as one group and freezed the system. But the
coordinates are not getting fixed. Also when i took the same mdp file with 2
copper ions instead of one cu and one water, the system was getting frozen.
Can anyone please let me know what is the problem.

Regards 
Sukriti

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